ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate

C17H19N3O2 — CID 175663715

IUPACethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
SMILESCCCn1cc(-c2ccc3[nH]c(C(=O)OCC)cc3c2)cn1
InChIInChI=1S/C17H19N3O2/c1-3-7-20-11-14(10-18-20)12-5-6-15-13(8-12)9-16(19-15)17(21)22-4-2/h5-6,8-11,19H,3-4,7H2,1-2H3
InChIKeyFDDQVTIAXAWVKB-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.62
Rot. Bonds5

About ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate

ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate (PubChem CID 175663715) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
PubChem CID175663715
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate
SMILESCCCn1cc(-c2ccc3[nH]c(C(=O)OCC)cc3c2)cn1
InChIInChI=1S/C17H19N3O2/c1-3-7-20-11-14(10-18-20)12-5-6-15-13(8-12)9-16(19-15)17(21)22-4-2/h5-6,8-11,19H,3-4,7H2,1-2H3
InChIKeyFDDQVTIAXAWVKB-UHFFFAOYSA-N
XLogP3.62
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate (CID 175663715) is ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate is CCCn1cc(-c2ccc3[nH]c(C(=O)OCC)cc3c2)cn1.
What is the InChIKey of ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate?
The InChIKey is FDDQVTIAXAWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-7-20-11-14(10-18-20)12-5-6-15-13(8-12)9-16(19-15)17(21)22-4-2/h5-6,8-11,19H,3-4,7H2,1-2H3.
What are the key properties of ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate?
ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate has a molecular weight of 297.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1-propylpyrazol-4-yl)-1H-indole-2-carboxylate is sourced from PubChem (CID 175663715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).